N-methyl-5-phenoxy-2-propylpentan-1-amine

C15H25NO — CID 55156688

IUPACN-methyl-5-phenoxy-2-propylpentan-1-amine
SMILESCCCC(CCCOc1ccccc1)CNC
InChIInChI=1S/C15H25NO/c1-3-8-14(13-16-2)9-7-12-17-15-10-5-4-6-11-15/h4-6,10-11,14,16H,3,7-9,12-13H2,1-2H3
InChIKeyIUTWXHVLMFBFEE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.48
Rot. Bonds9

About N-methyl-5-phenoxy-2-propylpentan-1-amine

N-methyl-5-phenoxy-2-propylpentan-1-amine (PubChem CID 55156688) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-methyl-5-phenoxy-2-propylpentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-phenoxy-2-propylpentan-1-amine
PubChem CID55156688
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-methyl-5-phenoxy-2-propylpentan-1-amine
SMILESCCCC(CCCOc1ccccc1)CNC
InChIInChI=1S/C15H25NO/c1-3-8-14(13-16-2)9-7-12-17-15-10-5-4-6-11-15/h4-6,10-11,14,16H,3,7-9,12-13H2,1-2H3
InChIKeyIUTWXHVLMFBFEE-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62528721
2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine
CID 62936468
2-ethyl-N-(2-methoxyethyl)-5-phenoxypentan-1-amine
CID 62936301
N-methyl-3-phenoxypropan-1-amine
CID 22067856
2-benzyl-N-methylhexan-1-amine
CID 62529253
N-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940428
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
(3R)-1-phenoxyhexan-3-ol
CID 102063151
2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine
CID 79430860
pentoxybenzene;undecane
CID 174778179
N-methyl-1-phenoxynonan-3-amine
CID 55094999
azane;propoxybenzene
CID 66667480

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenoxy-2-propylpentan-1-amine?
The IUPAC name of N-methyl-5-phenoxy-2-propylpentan-1-amine (CID 55156688) is N-methyl-5-phenoxy-2-propylpentan-1-amine.
What is the SMILES notation for N-methyl-5-phenoxy-2-propylpentan-1-amine?
The canonical SMILES for N-methyl-5-phenoxy-2-propylpentan-1-amine is CCCC(CCCOc1ccccc1)CNC.
What is the InChIKey of N-methyl-5-phenoxy-2-propylpentan-1-amine?
The InChIKey is IUTWXHVLMFBFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-8-14(13-16-2)9-7-12-17-15-10-5-4-6-11-15/h4-6,10-11,14,16H,3,7-9,12-13H2,1-2H3.
What are the key properties of N-methyl-5-phenoxy-2-propylpentan-1-amine?
N-methyl-5-phenoxy-2-propylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenoxy-2-propylpentan-1-amine is sourced from PubChem (CID 55156688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).